Boyle, L.L. and Hudson, R.F. and Wallis, J.D. (1995) The Related Stability of CIS and Trans Isomers. Theochem-Journal of Molecular Structure, 341 . pp. 141-147. ISSN 0166-1280.
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By adopting an sp(2) hybridised model, it is found that the overlap integral for two adjacent lone pairs is numerically greater for the trans isomer. On the basis of 1-electron Huckel theory, this suggests that cis isomers are more stable than trans, contrary to the predictions of conformational analysis. Commonly, non-bonded interactions lead to the stabilisation of trans isomers, but when these repulsions are not dominant, the cis isomers are always the more stable.
|Subjects:||Q Science > QD Chemistry|
|Divisions:||Faculties > Science Technology and Medical Studies > School of Engineering and Digital Arts|
|Depositing User:||P. Ogbuji|
|Date Deposited:||08 Jun 2009 08:30|
|Last Modified:||25 Jun 2012 14:59|
|Resource URI:||http://kar.kent.ac.uk/id/eprint/19718 (The current URI for this page, for reference purposes)|
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